2-(5-methoxyindol-1-yl)-4-methylpentanoic acid

C15H19NO3 — CID 114282497

IUPAC2-(5-methoxyindol-1-yl)-4-methylpentanoic acid
SMILESCOc1ccc2c(ccn2C(CC(C)C)C(=O)O)c1
InChIInChI=1S/C15H19NO3/c1-10(2)8-14(15(17)18)16-7-6-11-9-12(19-3)4-5-13(11)16/h4-7,9-10,14H,8H2,1-3H3,(H,17,18)
InChIKeyDDSQYCBVZVPFOV-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.32
Rot. Bonds5

About 2-(5-methoxyindol-1-yl)-4-methylpentanoic acid

2-(5-methoxyindol-1-yl)-4-methylpentanoic acid (PubChem CID 114282497) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(5-methoxyindol-1-yl)-4-methylpentanoic acid.

Molecular Properties

Compound Name2-(5-methoxyindol-1-yl)-4-methylpentanoic acid
PubChem CID114282497
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-(5-methoxyindol-1-yl)-4-methylpentanoic acid
SMILESCOc1ccc2c(ccn2C(CC(C)C)C(=O)O)c1
InChIInChI=1S/C15H19NO3/c1-10(2)8-14(15(17)18)16-7-6-11-9-12(19-3)4-5-13(11)16/h4-7,9-10,14H,8H2,1-3H3,(H,17,18)
InChIKeyDDSQYCBVZVPFOV-UHFFFAOYSA-N
XLogP3.32
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(5-methoxyindol-1-yl)-4-methylpentanoic acid
CID 114282498
5-methoxy-1-(4-methylpentan-2-yl)indole
CID 102339927
5-methoxyindole-1-carboxylic acid
CID 68566461
(2S)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]propanoic acid
CID 39377928
(2S)-2-[5-[2-[(1S)-1-carboxy-3-methylbutyl]isoindol-5-yl]oxyisoindol-2-yl]-4-methylpentanoic acid
CID 101390797
CID 174065240
CID 174065240
2-[(4-methoxyphenoxy)methyl]-4-methylpentanoic acid
CID 117242245
(2R,3S)-2-[3-(5-methoxyindol-1-yl)propanoylamino]-3-methylpentanoic acid
CID 124647642
(2S)-2-(diethylamino)-1-(5-methoxyindol-1-yl)propan-1-one
CID 170000579
4-(5-methoxyindol-1-yl)-2-methylbut-2-enoic acid
CID 77074701
4-(5-methoxyindol-1-yl)but-2-enoic acid
CID 76940468
2-(5-methoxyindol-1-yl)-N-(6-methylheptan-2-yl)acetamide
CID 42648833

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxyindol-1-yl)-4-methylpentanoic acid?
The IUPAC name of 2-(5-methoxyindol-1-yl)-4-methylpentanoic acid (CID 114282497) is 2-(5-methoxyindol-1-yl)-4-methylpentanoic acid.
What is the SMILES notation for 2-(5-methoxyindol-1-yl)-4-methylpentanoic acid?
The canonical SMILES for 2-(5-methoxyindol-1-yl)-4-methylpentanoic acid is COc1ccc2c(ccn2C(CC(C)C)C(=O)O)c1.
What is the InChIKey of 2-(5-methoxyindol-1-yl)-4-methylpentanoic acid?
The InChIKey is DDSQYCBVZVPFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10(2)8-14(15(17)18)16-7-6-11-9-12(19-3)4-5-13(11)16/h4-7,9-10,14H,8H2,1-3H3,(H,17,18).
What are the key properties of 2-(5-methoxyindol-1-yl)-4-methylpentanoic acid?
2-(5-methoxyindol-1-yl)-4-methylpentanoic acid has a molecular weight of 261.32 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxyindol-1-yl)-4-methylpentanoic acid is sourced from PubChem (CID 114282497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).